CID 4962646

2-chloro-n-[(4-methylphenyl)(thiophen-2-yl)methyl]acetamide

Structural Information

Molecular Formula
C14H14ClNOS
SMILES
CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CCl
InChI
InChI=1S/C14H14ClNOS/c1-10-4-6-11(7-5-10)14(16-13(17)9-15)12-3-2-8-18-12/h2-8,14H,9H2,1H3,(H,16,17)
InChIKey
UHTADWORDHCHCG-UHFFFAOYSA-N
Compound name
2-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.04846 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.055736 163.6
[M+Na]+ 302.037678 171.2
[M-H]- 278.041184 170.7
[M+NH4]+ 297.082283 182.5
[M+K]+ 318.011618 165.7
[M+H-H2O]+ 262.045720 157.7
[M+HCOO]- 324.046661 178.5
[M+CH3COO]- 338.062311 197.5
[M+Na-2H]- 300.023126 163.1
[M]+ 279.04791142 167.1
[M]- 279.04900858 167.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.